4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene

C15H15IO2 — CID 11164050

IUPAC4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
SMILESCOc1cc(CI)ccc1OCc1ccccc1
InChIInChI=1S/C15H15IO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyCQXDDHQODCZFGL-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.21
Rot. Bonds5

About 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene

4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene (PubChem CID 11164050) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
PubChem CID11164050
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
SMILESCOc1cc(CI)ccc1OCc1ccccc1
InChIInChI=1S/C15H15IO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyCQXDDHQODCZFGL-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
3-methoxy-4-phenylmethoxyaniline
CID 27226
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene?
The IUPAC name of 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene (CID 11164050) is 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene.
What is the SMILES notation for 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene?
The canonical SMILES for 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene is COc1cc(CI)ccc1OCc1ccccc1.
What is the InChIKey of 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene?
The InChIKey is CQXDDHQODCZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene?
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene has a molecular weight of 354.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene is sourced from PubChem (CID 11164050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).